5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C19H20N5O3+ MolecularWeight: 366.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3/c25-24(26)17-8-6-16(7-9-17)23-12-10-22(11-13-23)14-18-20-19(21-27-18)15-4-2-1-3-5-15/h1-9H,10-14H2/p+1